N4-(1-methyl-1H-indazol-5-yl)morpholine-2,4-dicarboxamide

• ChemBase ID: 539268
• Molecular Formular: C14H17N5O3
• Molecular Mass: 303.31648
• Monoisotopic Mass: 303.13313943
• SMILES: C(=O)(N1CC(C(=O)N)OCC1)Nc1cc2c(n(nc2)C)cc1
• Canonical SMILES: NC(=O)C1OCCN(C1)C(=O)Nc1ccc2c(c1)cnn2C
• InChI: InChI=1S/C14H17N5O3/c1-18-11-3-2-10(6-9(11)7-16-18)17-14(21)19-4-5-22-12(8-19)13(15)20/h2-3,6-7,12H,4-5,8H2,1H3,(H2,15,20)(H,17,21)
• InChIKey: UIZSKHLMQBQTHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N4-(1-methyl-1H-indazol-5-yl)morpholine-2,4-dicarboxamide
• IUPAC Traditional name: N4-(1-methylindazol-5-yl)morpholine-2,4-dicarboxamide
• Synonyms: N~4~-(1-methyl-1H-indazol-5-yl)morpholine-2,4-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.121592
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.56401837
• LogD (pH = 7.4): -0.5640037
• Log P: -0.56400275
• Molar Refractivity: 91.3488 cm^3
• Polarizability: 30.983463 Å^3
• Polar Surface Area: 102.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.16
• LOG S: -1.73
• Polar Surface Area: 102.48 Å^2
• Rotatable Bonds: 2